N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-naphthalen-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-naphthalen-2-ylsulfanyl-ethanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-naphthylsulfanyl)acetamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(2-naphthalenylthio)acetamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-naphthalen-2-ylsulfanylacetamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-(2-naphthylthio)acetamide Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3OS/c1-18-24(19(2)28(27-18)16-20-8-4-3-5-9-20)15-26-25(29)17-30-23-13-12-21-10-6-7-11-22(21)14-23/h3-14H,15-17H2,1-2H3,(H,26,29)